# -*- coding: utf-8 -*- ########################################################################### # Copyright (c), The AiiDA team. All rights reserved. # # This file is part of the AiiDA code. # # # # The code is hosted on GitHub at https://github.com/aiidateam/aiida-core # # For further information on the license, see the LICENSE.txt file # # For further information please visit http://www.aiida.net # ########################################################################### """Base settings required for the configuration of an AiiDA instance.""" import os import pathlib import typing import warnings USE_TZ = True DEFAULT_UMASK = 0o0077 DEFAULT_AIIDA_PATH_VARIABLE = 'AIIDA_PATH' DEFAULT_AIIDA_PATH = '~' DEFAULT_AIIDA_USER = 'aiida@localhost' DEFAULT_CONFIG_DIR_NAME = '.aiida' DEFAULT_CONFIG_FILE_NAME = 'config.json' DEFAULT_CONFIG_INDENT_SIZE = 4 DEFAULT_DAEMON_DIR_NAME = 'daemon' DEFAULT_DAEMON_LOG_DIR_NAME = 'log' AIIDA_CONFIG_FOLDER: typing.Optional[pathlib.Path] = None DAEMON_DIR: typing.Optional[pathlib.Path] = None DAEMON_LOG_DIR: typing.Optional[pathlib.Path] = None [docs]def create_instance_directories(): """Create the base directories required for a new AiiDA instance. This will create the base AiiDA directory defined by the AIIDA_CONFIG_FOLDER variable, unless it already exists. Subsequently, it will create the daemon directory within it and the daemon log directory. """ from aiida.common import ConfigurationError directory_base = pathlib.Path(AIIDA_CONFIG_FOLDER).expanduser() directory_daemon = directory_base / DAEMON_DIR directory_daemon_log = directory_base / DAEMON_LOG_DIR umask = os.umask(DEFAULT_UMASK) try: for path in [directory_base, directory_daemon, directory_daemon_log]: if path is directory_base and not path.exists(): warnings.warn(f'Creating AiiDA configuration folder `{path}`.') try: path.mkdir(parents=True, exist_ok=True) except OSError as exc: raise ConfigurationError(f'could not create the `{path}` configuration directory: {exc}') from exc finally: os.umask(umask) [docs]def set_configuration_directory(): """Determine the location of the configuration directory and set the related global variables. The location of the configuration folder will be determined and optionally created following these heuristics: * If the `AIIDA_PATH` variable is set, all the paths will be checked to see if they contain a configuration folder. The first one to be encountered will be set as `AIIDA_CONFIG_FOLDER`. If none of them contain one, a configuration folder will be created in the last path considered. * If the `AIIDA_PATH` variable is not set the `DEFAULT_AIIDA_PATH` value will be used as base path and if it does not yet contain a configuration folder, one will be created. In principle then, a configuration folder should always be found or automatically created. """ # pylint: disable = global-statement global AIIDA_CONFIG_FOLDER global DAEMON_DIR global DAEMON_LOG_DIR environment_variable = os.environ.get(DEFAULT_AIIDA_PATH_VARIABLE, None) if environment_variable: # Loop over all the paths in the `AIIDA_PATH` variable to see if any of them contain a configuration folder for base_dir_path in [path for path in environment_variable.split(':') if path]: AIIDA_CONFIG_FOLDER = pathlib.Path(base_dir_path).expanduser() # Only add the base config directory name to the base path if it does not already do so # Someone might already include it in the environment variable. e.g.: AIIDA_PATH=/home/some/path/.aiida if AIIDA_CONFIG_FOLDER.name != DEFAULT_CONFIG_DIR_NAME: AIIDA_CONFIG_FOLDER = AIIDA_CONFIG_FOLDER / DEFAULT_CONFIG_DIR_NAME # If the directory exists, we leave it set and break the loop if AIIDA_CONFIG_FOLDER.is_dir(): break else: # The `AIIDA_PATH` variable is not set, so default to the default path and try to create it if it does not exist AIIDA_CONFIG_FOLDER = pathlib.Path(DEFAULT_AIIDA_PATH).expanduser() / DEFAULT_CONFIG_DIR_NAME DAEMON_DIR = AIIDA_CONFIG_FOLDER / DEFAULT_DAEMON_DIR_NAME DAEMON_LOG_DIR = DAEMON_DIR / DEFAULT_DAEMON_LOG_DIR_NAME create_instance_directories() # Initialize the configuration directory settings set_configuration_directory()